Gracias, Thank you, I will check it.
Pablo
There is a brief mention on p71 of the UG, which is a bit condensed. So, some
details.
As has been stated many times on this list, the appropriate RKMAX depends upon
the RMT & the desired accuracy. In addition, the k-m
There is a brief mention on p71 of the UG, which is a bit condensed. So,
some details.
As has been stated many times on this list, the appropriate RKMAX depends
upon the RMT & the desired accuracy. In addition, the k-mesh should be that
which gives an appropriate density in reciprocal space. Also
In this version there are changes, where I can find about them?
For example, in
Gd_1.25 Sr_0.75 Ni O_4
after "init" I got
R-MT*K-MAX=5.96
GdSrNiO4-3.klist;
1 2 2 7 28 8.0 -7.0 1.5 147 k, div: ( 7
7 2)
2 2 6 728 8
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